(3β,20S)-Pregn-5-ene-3,20-diamine

CAS Registry Number®

3614-57-1

CAS Name

(3β,20S)-Pregn-5-ene-3,20-diamine

Molecular Formula

C21H36N2

Molecular Mass

316.52

Cite this Page

(3β,20S)-Pregn-5-ene-3,20-diamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3614-57-1 (retrieved 2024-12-02) (CAS RN: 3614-57-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H36N2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19H,5-12,22-23H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=XDELLWIDOQOKHV-YZXCLFAISA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@H](C)N)(CC4)[H])[H])(CC=C1C[C@@H](N)CC2)[H])[H]

Canonical SMILES

NC1CC2=CCC3C(CCC4(C)C(CCC34)C(N)C)C2(C)CC1

Other Names for this Substance

  • Pregn-5-ene-3,20-diamine, (3β,20S)-
  • Pregn-5-ene-3β,20α-diamine
  • (3β,20S)-Pregn-5-ene-3,20-diamine
  • Irehdiamine A
  • Irehidamine A

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